>compound Cysteinylglycine_Cysteinylglycine
#instrument UPLC Q-Tof Premier, Waters
>formula C5H10N2O3S
#smiles OC(=O)CNC(=O)C(N)CS
#RECORD LC-ESI-QTOF_train_data/PR100377.txt
>charge 1
>ionization [M+H]+
>parentmass 179.04901

>collision 5-60
58.9947 13.14
76.0217 139.0
96.8967 22.7
116.0155 29.37
137.9226 40.34
144.0106 17.36
162.0198 38.54
179.049 10.66

